2-ethyl-2-(ethylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile

C17H33N3 — CID 106803943

IUPAC2-ethyl-2-(ethylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
SMILESCCCC1CCCCN1CCCC(C#N)(CC)NCC
InChIInChI=1S/C17H33N3/c1-4-10-16-11-7-8-13-20(16)14-9-12-17(5-2,15-18)19-6-3/h16,19H,4-14H2,1-3H3
InChIKeyUNMKYLJJIFMDNM-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.70
Rot. Bonds9

About 2-ethyl-2-(ethylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile

2-ethyl-2-(ethylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile (PubChem CID 106803943) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
PubChem CID106803943
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name2-ethyl-2-(ethylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
SMILESCCCC1CCCCN1CCCC(C#N)(CC)NCC
InChIInChI=1S/C17H33N3/c1-4-10-16-11-7-8-13-20(16)14-9-12-17(5-2,15-18)19-6-3/h16,19H,4-14H2,1-3H3
InChIKeyUNMKYLJJIFMDNM-UHFFFAOYSA-N
XLogP3.70
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106804026
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803115
2-methyl-2-(methylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
CID 83062210
2-methyl-2-(propan-2-ylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
CID 83062285
2,2-dimethyl-6-(2-propylpiperidin-1-yl)hexanenitrile
CID 106710103
2-ethyl-5-(2-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)pentanenitrile
CID 106802748
2-(ethylamino)-2-methyl-6-(2-propylpiperidin-1-yl)hexan-1-ol
CID 83056941
5-(2-propylpiperidin-1-yl)pentanenitrile
CID 83056574
2-ethyl-2-(propylamino)-5-(4-propylpiperidin-1-yl)pentanenitrile
CID 106803501
1-pentyl-2-propylpiperidine
CID 54429991
5-(2,4-dimethylpyrrolidin-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803999
2-(cyclopropylamino)-2-ethyl-5-(2-propylpiperidin-1-yl)pentan-1-ol
CID 106809824

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile (CID 106803943) is 2-ethyl-2-(ethylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile is CCCC1CCCCN1CCCC(C#N)(CC)NCC.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile?
The InChIKey is UNMKYLJJIFMDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-4-10-16-11-7-8-13-20(16)14-9-12-17(5-2,15-18)19-6-3/h16,19H,4-14H2,1-3H3.
What are the key properties of 2-ethyl-2-(ethylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile?
2-ethyl-2-(ethylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile has a molecular weight of 279.47 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(ethylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile is sourced from PubChem (CID 106803943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).